5CGZ

Crystal structure of GalB, the 4-carboxy-2-hydroxymuconate hydratase, from Pseuodomonas putida KT2440

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-26
Detector	RAYONIX MX-300
Wavelength(s)	0.97949
Spacegroup name	P 41 3 2
Unit cell lengths	201.660, 201.660, 201.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.910 - 2.103
R-factor	0.1512
Rwork	0.150
R-free	0.17010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.6)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.910		2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.083	0.027	1.043
Rmeas	0.089	0.030	1.117
Total number of observations	638484
Number of reflections	81108	1057	5899
<I/σ(I)>	17.88	53.59	2.23
Completeness [%]	99.8	97.8	100
CC(1/2)	0.999	0.999	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	283	25% Glycerol